#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kct n ALA 44 N 0.00 3.93 -1.78 3.04 0.00 -1.26 -5.12 120.51 119.31 2kct n ALA 44 Ca 0.00 -3.57 -0.36 0.00 0.00 0.00 0.00 53.44 49.51 2kct n ALA 44 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 2kct n ALA 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kct s THR 45 N -3.91 3.71 -0.93 0.00 -4.23 -1.26 -4.87 115.64 104.15 2kct s THR 45 Ca 0.35 1.27 -0.21 0.00 -1.18 0.00 0.00 61.69 61.91 2kct s THR 45 Cb 0.43 -3.63 -0.25 0.00 1.34 0.00 0.00 72.50 70.39 2kct s THR 45 CO -0.04 -0.03 2.43 -2.65 -0.54 0.00 0.00 174.62 173.78 2kct n PRO 46 N -0.23 0.15 -3.02 3.99 -0.02 -1.26 -4.80 135.00 129.81 2kct n PRO 46 Ca 0.06 -0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.33 2kct n PRO 46 Cb 0.50 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 2kct n PRO 46 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2kct s GLN 47 N 8.14 1.00 0.67 -0.52 0.74 -1.26 -4.38 119.66 124.05 2kct s GLN 47 Ca 1.27 -1.49 -0.11 0.00 0.05 0.00 0.00 55.36 55.09 2kct s GLN 47 Cb -0.89 -0.60 -0.00 0.00 1.10 0.00 0.00 33.01 32.61 2kct s GLN 47 CO 0.46 -1.35 1.06 0.16 -0.55 0.00 0.00 175.29 175.07 2kct s ASP 48 N 0.55 5.68 0.08 6.67 -4.77 -1.26 -5.02 116.67 118.60 2kct s ASP 48 Ca 0.31 1.17 -0.15 0.00 -3.30 0.00 0.00 52.55 50.57 2kct s ASP 48 Cb 0.01 -2.06 -0.15 0.00 -1.09 0.00 0.00 42.92 39.64 2kct s ASP 48 CO -0.11 -1.18 1.30 0.11 0.70 0.00 0.00 175.17 175.99 2kct h LYS 49 N -0.51 0.67 0.00 2.11 1.57 -2.01 -3.06 116.57 115.34 2kct h LYS 49 Ca -0.45 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 57.81 2kct h LYS 49 Cb 1.24 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 2kct h LYS 49 CO 0.63 1.11 -0.16 1.37 -0.57 0.00 0.00 179.45 181.83 2kct h LEU 50 N 0.35 0.00 -8.14 2.94 8.10 -2.00 -3.39 115.31 113.17 2kct h LEU 50 Ca -0.02 0.00 -0.41 0.00 0.11 0.00 0.00 57.88 57.56 2kct h LEU 50 Cb 1.17 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.33 2kct h LEU 50 CO 0.12 0.16 1.10 -2.28 -4.11 0.00 0.00 178.44 173.43 2kct s HIS 51 N -3.58 2.10 -0.27 0.17 2.46 -1.16 -4.95 115.29 110.08 2kct s HIS 51 Ca 0.01 0.03 -0.10 0.00 0.47 0.00 0.00 55.06 55.47 2kct s HIS 51 Cb 0.09 -4.28 -0.05 0.00 -0.13 0.00 0.00 32.58 28.22 2kct s HIS 51 CO 0.62 -1.74 0.17 0.99 -2.47 0.00 0.00 174.74 172.31 2kct s THR 52 N 8.32 5.19 0.01 0.89 2.01 -1.26 -4.61 115.64 126.20 2kct s THR 52 Ca 0.62 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.75 2kct s THR 52 Cb -0.03 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2kct s THR 52 CO -0.01 0.29 0.07 -0.69 -0.69 0.00 0.00 174.62 173.59 2kct s VAL 53 N 1.55 4.64 -0.21 3.82 1.01 -0.44 -4.90 120.40 125.88 2kct s VAL 53 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2kct s VAL 53 Cb -0.15 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.13 2kct s VAL 53 CO 0.08 0.31 -0.11 -0.60 0.00 0.00 0.00 175.10 174.79 2kct s ARG 54 N -1.83 2.13 -0.16 2.72 3.52 -1.26 -2.41 118.95 121.66 2kct s ARG 54 Ca 0.24 -0.92 -0.01 0.00 -0.13 0.00 0.00 55.73 54.91 2kct s ARG 54 Cb -0.12 -2.51 -0.01 0.00 -1.56 0.00 0.00 34.95 30.75 2kct s ARG 54 CO 0.15 -0.43 -0.11 -1.17 -0.81 0.00 0.00 175.30 172.92 2kct s LEU 55 N 1.34 2.70 -0.12 -0.88 0.20 -1.08 -5.00 118.68 115.84 2kct s LEU 55 Ca -0.02 -0.38 -0.11 0.00 0.69 0.00 0.00 54.13 54.31 2kct s LEU 55 Cb -0.17 -1.63 -0.05 0.00 -0.43 0.00 0.00 46.19 43.92 2kct s LEU 55 CO -0.08 0.10 0.22 -0.36 -0.29 0.00 0.00 176.35 175.94 2kct s PHE 56 N 0.76 3.55 0.05 5.38 0.08 -1.26 -2.61 117.98 123.93 2kct s PHE 56 Ca -0.05 0.59 -0.10 0.00 0.12 0.00 0.00 56.93 57.49 2kct s PHE 56 Cb -0.15 -2.14 0.03 0.00 -0.57 0.00 0.00 43.02 40.19 2kct s PHE 56 CO 0.01 0.52 0.46 0.41 -0.10 0.00 0.00 175.22 176.52 2kct n GLY 57 N 2.59 0.86 3.23 4.36 0.00 -1.11 -3.87 105.19 111.24 2kct n GLY 57 Ca -0.16 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 2kct n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kct s THR 58 N -2.29 1.64 -0.07 2.61 2.01 -0.38 -1.51 115.64 117.66 2kct s THR 58 Ca 0.10 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 2kct s THR 58 Cb -0.01 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2kct s THR 58 CO 0.02 0.42 1.32 -0.69 -0.69 0.00 0.00 174.62 175.00 2kct s VAL 59 N -0.54 4.03 0.47 3.82 1.01 -0.39 -1.10 120.40 127.70 2kct s VAL 59 Ca 0.08 1.34 -0.21 0.00 0.00 0.00 0.00 61.98 63.19 2kct s VAL 59 Cb -0.08 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 2kct s VAL 59 CO -0.00 -0.05 1.03 0.00 0.00 0.00 0.00 175.10 176.08 2kct s ALA 60 N 2.82 2.92 -0.31 5.51 0.00 -1.23 -1.20 121.76 130.26 2kct s ALA 60 Ca 0.60 0.59 0.03 0.00 0.00 0.00 0.00 51.96 53.17 2kct s ALA 60 Cb -0.27 -3.24 0.27 0.00 0.00 0.00 0.00 23.12 19.88 2kct s ALA 60 CO 0.22 -0.24 1.25 0.00 0.00 0.00 0.00 175.76 176.98 2kct n ALA 61 N -0.81 3.50 -3.73 0.00 0.00 -1.26 -4.57 120.51 113.63 2kct n ALA 61 Ca 0.08 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 2kct n ALA 61 Cb 0.52 -1.14 -0.15 0.00 0.00 0.00 0.00 19.45 18.69 2kct n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kct s ASP 62 N 0.02 0.06 0.00 0.00 2.15 -1.26 -4.85 116.67 112.79 2kct s ASP 62 Ca 0.21 0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.49 2kct s ASP 62 Cb 0.17 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 2kct s ASP 62 CO 0.05 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 2kct n GLY 63 N 4.42 0.69 3.57 2.66 0.00 -1.26 -4.30 105.19 110.96 2kct n GLY 63 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2kct n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kct s LEU 64 N 0.00 3.44 -0.33 0.99 0.20 -1.26 -3.89 118.68 117.82 2kct s LEU 64 Ca 0.00 -1.60 -0.08 0.00 0.69 0.00 0.00 54.13 53.14 2kct s LEU 64 Cb 0.00 -2.57 0.02 0.00 -0.43 0.00 0.00 46.19 43.21 2kct s LEU 64 CO 0.00 -1.98 0.13 -0.89 -0.29 0.00 0.00 176.35 173.32 2kct s THR 65 N 7.01 4.11 0.15 3.68 2.01 0.59 -5.01 115.64 128.18 2kct s THR 65 Ca 0.58 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 2kct s THR 65 Cb -0.00 -3.24 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 2kct s THR 65 CO 0.01 -0.10 0.50 -0.04 -0.69 0.00 0.00 174.62 174.30 2kct s MET 66 N 1.49 3.85 0.04 4.92 -1.94 -1.26 -0.35 119.30 126.04 2kct s MET 66 Ca 0.01 0.31 -0.30 0.00 -1.71 0.00 0.00 55.69 54.00 2kct s MET 66 Cb -0.19 -2.87 -0.06 0.00 2.01 0.00 0.00 34.83 33.73 2kct s MET 66 CO 0.04 0.46 1.33 -0.51 -0.01 0.00 0.00 175.02 176.33 2kct s LEU 67 N -2.22 4.34 -0.21 -0.03 1.43 -0.98 -4.90 118.68 116.11 2kct s LEU 67 Ca 0.39 2.11 -0.29 0.00 -1.03 0.00 0.00 54.13 55.32 2kct s LEU 67 Cb -0.14 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 2kct s LEU 67 CO 0.20 -0.63 1.27 -1.81 0.23 0.00 0.00 176.35 175.61 2kct s ASP 68 N 1.46 6.86 -1.33 2.29 1.01 -1.26 -3.42 116.67 122.28 2kct s ASP 68 Ca 0.62 1.53 0.00 0.00 0.71 0.00 0.00 52.55 55.41 2kct s ASP 68 Cb -0.32 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.08 2kct s ASP 68 CO 0.28 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.40 2kct n GLY 69 N 3.83 1.32 3.06 0.21 0.00 -1.26 -4.99 105.19 107.36 2kct n GLY 69 Ca 0.14 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2kct n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 70 N -2.38 -0.50 -0.16 4.61 0.00 -1.22 -5.13 121.76 116.98 2kct s ALA 70 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 2kct s ALA 70 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2kct s ALA 70 CO 0.00 -0.13 1.70 -1.25 0.00 0.00 0.00 175.76 176.08 2kct s PRO 71 N 0.50 3.85 0.00 0.00 0.04 -1.26 -4.38 135.00 133.75 2kct s PRO 71 Ca -0.03 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2kct s PRO 71 Cb -0.05 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2kct s PRO 71 CO -0.03 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.18 2kct n GLY 72 N 4.63 -1.21 3.52 0.56 0.00 -0.87 -0.89 105.19 110.94 2kct n GLY 72 Ca 0.19 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 2kct n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 73 N -2.13 -0.01 -0.10 1.61 0.11 -0.17 -2.33 120.40 117.39 2kct s VAL 73 Ca 0.00 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.90 2kct s VAL 73 Cb 0.00 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 2kct s VAL 73 CO 0.00 0.01 0.46 -0.60 -3.33 0.00 0.00 175.10 171.64 2kct s ARG 74 N 1.49 4.27 0.19 1.54 6.06 0.53 -1.73 118.95 131.30 2kct s ARG 74 Ca -0.09 0.43 -0.20 0.00 -2.50 0.00 0.00 55.73 53.37 2kct s ARG 74 Cb -0.06 -3.40 0.04 0.00 0.06 0.00 0.00 34.95 31.60 2kct s ARG 74 CO -0.17 0.26 0.58 -0.59 -2.50 0.00 0.00 175.30 172.88 2kct s PHE 75 N 0.30 -0.30 -0.43 5.12 -0.71 -0.97 -0.30 117.98 120.69 2kct s PHE 75 Ca 0.25 -0.01 -0.12 0.00 -1.04 0.00 0.00 56.93 56.01 2kct s PHE 75 Cb -0.15 0.50 0.06 0.00 -1.21 0.00 0.00 43.02 42.22 2kct s PHE 75 CO 0.11 -0.93 0.30 -0.98 -1.34 0.00 0.00 175.22 172.38 2kct s ARG 76 N -3.83 2.82 -0.26 1.99 1.70 -1.26 -0.12 118.95 120.00 2kct s ARG 76 Ca 0.06 -1.30 -0.29 0.00 -0.47 0.00 0.00 55.73 53.72 2kct s ARG 76 Cb -0.02 -3.92 -0.01 0.00 -0.57 0.00 0.00 34.95 30.43 2kct s ARG 76 CO -0.06 -0.91 1.37 -1.17 -1.08 0.00 0.00 175.30 173.45 2kct s LEU 77 N 1.55 3.93 -0.67 -1.89 2.96 0.74 -3.57 118.68 121.74 2kct s LEU 77 Ca 0.03 1.38 -0.26 0.00 -0.22 0.00 0.00 54.13 55.06 2kct s LEU 77 Cb -0.22 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 2kct s LEU 77 CO 0.05 -1.07 1.68 -1.61 -1.32 0.00 0.00 176.35 174.08 2kct s GLU 78 N 4.18 2.81 -0.60 1.98 2.02 -0.26 -2.19 118.70 126.65 2kct s GLU 78 Ca 0.60 0.27 -0.29 0.00 0.02 0.00 0.00 54.97 55.57 2kct s GLU 78 Cb -0.19 -4.38 -0.12 0.00 0.10 0.00 0.00 34.13 29.55 2kct s GLU 78 CO 0.23 -2.58 2.46 -3.47 0.02 0.00 0.00 175.26 171.93 2kct n ASP 79 N 11.71 1.79 0.31 -0.19 2.03 -1.25 -1.25 116.55 129.70 2kct n ASP 79 Ca 0.16 -0.19 0.18 0.00 0.52 0.00 0.00 54.79 55.47 2kct n ASP 79 Cb 0.51 -1.37 1.00 0.00 -0.72 0.00 0.00 41.12 40.55 2kct n ASP 79 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2kct h LYS 80 N 16.53 0.00 -0.39 -0.67 5.09 -1.90 0.60 116.57 135.82 2kct h LYS 80 Ca -0.20 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.45 2kct h LYS 80 Cb 1.29 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.60 2kct h LYS 80 CO 1.20 0.02 -0.13 0.22 -2.09 0.00 0.00 179.45 178.67 2kct h ASP 81 N 0.00 0.70 0.00 7.07 3.58 -1.87 -3.41 116.42 122.48 2kct h ASP 81 Ca -0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2kct h ASP 81 Cb 0.07 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2kct h ASP 81 CO 0.00 0.85 0.00 0.59 -2.88 0.00 0.00 179.24 177.80 2kct n ASN 82 N -4.16 0.81 0.00 2.28 3.02 -0.76 -5.03 115.26 111.41 2kct n ASN 82 Ca 0.01 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2kct n ASN 82 Cb 0.36 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2kct n ASN 82 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2kct n THR 83 N -3.27 0.00 0.30 3.41 -1.04 0.20 -4.71 114.28 109.17 2kct n THR 83 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 2kct n THR 83 Cb 0.00 0.00 0.85 0.00 -1.82 0.00 0.00 70.33 69.36 2kct n THR 83 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2kct h SER 84 N 0.00 0.00 -3.43 8.00 4.64 -1.96 -3.38 113.55 117.42 2kct h SER 84 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2kct h SER 84 Cb 0.00 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.71 2kct h SER 84 CO 0.00 0.00 -0.80 -1.59 -0.87 0.00 0.00 176.83 173.57 2kct s LYS 85 N -3.78 1.64 -0.08 4.77 -2.85 -1.26 -5.14 119.74 113.05 2kct s LYS 85 Ca -0.01 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 2kct s LYS 85 Cb 0.10 -2.29 -0.03 0.00 -2.06 0.00 0.00 37.83 33.55 2kct s LYS 85 CO 0.41 -0.48 -0.06 0.95 0.10 0.00 0.00 175.35 176.27 2kct s THR 86 N 1.51 3.76 -0.11 3.79 -4.23 -1.26 -3.79 115.64 115.31 2kct s THR 86 Ca -0.02 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 2kct s THR 86 Cb -0.17 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 2kct s THR 86 CO -0.08 0.59 0.04 -0.69 -0.54 0.00 0.00 174.62 173.94 2kct s VAL 87 N -0.72 4.60 0.36 2.29 1.01 -0.93 -4.93 120.40 122.08 2kct s VAL 87 Ca 0.11 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 2kct s VAL 87 Cb -0.11 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.19 2kct s VAL 87 CO 0.02 0.58 0.95 0.26 0.00 0.00 0.00 175.10 176.90 2kct s TRP 88 N -0.63 3.56 -0.08 5.22 0.52 -1.26 -0.18 118.94 126.08 2kct s TRP 88 Ca 0.11 1.72 -0.01 0.00 0.02 0.00 0.00 56.10 57.94 2kct s TRP 88 Cb -0.12 -2.90 0.03 0.00 -1.15 0.00 0.00 33.47 29.33 2kct s TRP 88 CO 0.02 0.09 -0.01 0.08 0.02 0.00 0.00 176.95 177.15 2kct s VAL 89 N -1.80 0.46 -0.76 4.03 1.01 0.83 -0.23 120.40 123.94 2kct s VAL 89 Ca 0.54 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.39 2kct s VAL 89 Cb -0.15 -0.62 0.15 0.00 0.00 0.00 0.00 36.38 35.75 2kct s VAL 89 CO 0.20 0.25 0.84 -0.22 0.00 0.00 0.00 175.10 176.17 2kct s LEU 90 N 1.94 5.74 -0.17 3.92 2.96 -0.61 -2.28 118.68 130.17 2kct s LEU 90 Ca 0.05 -2.00 -0.20 0.00 -0.22 0.00 0.00 54.13 51.75 2kct s LEU 90 Cb -0.12 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 2kct s LEU 90 CO -0.06 -0.93 0.60 -0.47 -1.32 0.00 0.00 176.35 174.18 2kct s TYR 91 N 1.89 3.42 -0.29 5.38 5.04 -0.71 -0.75 117.35 131.33 2kct s TYR 91 Ca 0.19 0.94 -0.00 0.00 -2.44 0.00 0.00 57.07 55.76 2kct s TYR 91 Cb -0.15 -2.75 0.05 0.00 0.35 0.00 0.00 41.96 39.47 2kct s TYR 91 CO -0.03 -0.09 -0.04 0.15 -1.34 0.00 0.00 175.55 174.20 2kct s LYS 92 N 1.58 2.38 0.00 4.97 1.02 -1.25 -1.00 119.74 127.45 2kct s LYS 92 Ca 0.29 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2kct s LYS 92 Cb -0.16 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2kct s LYS 92 CO 0.11 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 2kct n GLY 93 N 4.56 -1.71 3.59 -3.33 0.00 -0.06 -4.87 105.19 103.37 2kct n GLY 93 Ca -0.14 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2kct n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kct s ALA 94 N -1.36 2.70 -0.28 4.61 0.00 -1.26 -2.06 121.76 124.11 2kct s ALA 94 Ca 0.00 0.34 -0.28 0.00 0.00 0.00 0.00 51.96 52.02 2kct s ALA 94 Cb 0.00 -4.07 0.01 0.00 0.00 0.00 0.00 23.12 19.06 2kct s ALA 94 CO 0.00 -2.89 0.99 0.08 0.00 0.00 0.00 175.76 173.94 2kct s VAL 95 N 7.82 4.65 0.74 0.00 1.01 -1.26 -5.01 120.40 128.34 2kct s VAL 95 Ca 0.86 1.71 -0.11 0.00 0.00 0.00 0.00 61.98 64.44 2kct s VAL 95 Cb -0.24 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 31.87 2kct s VAL 95 CO 0.33 -0.30 1.09 -2.16 0.00 0.00 0.00 175.10 174.05 2kct s PRO 96 N 3.31 2.55 0.58 2.72 0.04 -1.26 -4.96 135.00 137.97 2kct s PRO 96 Ca 0.42 0.61 0.34 0.00 0.04 0.00 0.00 61.00 62.41 2kct s PRO 96 Cb -0.14 -1.97 1.74 0.00 0.04 0.00 0.00 34.50 34.16 2kct s PRO 96 CO 0.11 -1.28 2.14 -0.44 0.04 0.00 0.00 177.00 177.57 2kct h ASP 97 N -0.84 0.00 1.23 6.66 3.32 -2.00 -2.50 116.42 122.28 2kct h ASP 97 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2kct h ASP 97 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kct h ASP 97 CO 0.61 0.05 -0.15 0.35 -1.72 0.00 0.00 179.24 178.38 2kct n THR 98 N -3.33 0.42 -2.34 0.35 -2.24 -1.26 -4.52 114.28 101.36 2kct n THR 98 Ca -0.02 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 2kct n THR 98 Cb 0.20 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 2kct n THR 98 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2kct s PHE 99 N -3.09 2.27 -0.02 4.78 5.36 -0.94 -4.84 117.98 121.50 2kct s PHE 99 Ca 0.10 0.58 -0.18 0.00 -0.96 0.00 0.00 56.93 56.47 2kct s PHE 99 Cb 0.14 -4.33 0.03 0.00 -0.34 0.00 0.00 43.02 38.52 2kct s PHE 99 CO 0.62 -2.04 0.39 -1.59 -1.46 0.00 0.00 175.22 171.13 2kct s LYS 100 N 5.37 0.76 -0.08 10.12 -2.85 -1.26 -4.92 119.74 126.89 2kct s LYS 100 Ca 0.58 -0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 55.13 2kct s LYS 100 Cb -0.12 0.34 -0.06 0.00 -2.06 0.00 0.00 37.83 35.93 2kct s LYS 100 CO 0.28 -0.22 1.82 -1.25 0.10 0.00 0.00 175.35 176.08 2kct s PRO 101 N -1.41 3.96 0.00 1.78 0.04 -1.26 -2.56 135.00 135.56 2kct s PRO 101 Ca -0.12 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2kct s PRO 101 Cb -0.04 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2kct s PRO 101 CO 0.05 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2kct n GLY 102 N 4.57 2.08 3.85 0.56 0.00 -0.34 -4.90 105.19 111.00 2kct n GLY 102 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2kct n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kct s VAL 103 N -2.07 4.86 0.08 1.61 0.11 -1.06 -4.83 120.40 119.10 2kct s VAL 103 Ca 0.00 0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 59.55 2kct s VAL 103 Cb 0.00 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 2kct s VAL 103 CO 0.00 0.22 1.12 -1.61 -3.33 0.00 0.00 175.10 171.50 2kct s GLU 104 N -2.02 4.51 0.11 1.54 2.02 -1.26 -1.27 118.70 122.34 2kct s GLU 104 Ca 0.38 1.67 0.08 0.00 0.02 0.00 0.00 54.97 57.12 2kct s GLU 104 Cb -0.15 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 2kct s GLU 104 CO 0.19 -0.11 -0.20 0.14 0.02 0.00 0.00 175.26 175.30 2kct s VAL 105 N 0.68 1.72 -0.22 2.63 -7.23 -0.57 -1.62 120.40 115.79 2kct s VAL 105 Ca 0.54 -1.62 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 2kct s VAL 105 Cb -0.27 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 2kct s VAL 105 CO 0.30 -0.12 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.31 2kct s ILE 106 N -1.36 3.45 -0.10 -0.62 1.01 -0.32 -2.75 121.20 120.50 2kct s ILE 106 Ca 0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2kct s ILE 106 Cb -0.09 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 2kct s ILE 106 CO 0.05 0.41 -0.02 0.27 0.00 0.00 0.00 174.94 175.65 2kct s ILE 107 N 1.49 4.12 0.05 2.92 -4.36 -1.07 -1.88 121.20 122.47 2kct s ILE 107 Ca 0.06 -0.31 0.06 0.00 -0.26 0.00 0.00 60.65 60.20 2kct s ILE 107 Cb -0.14 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 2kct s ILE 107 CO -0.03 0.57 -0.14 -1.61 0.24 0.00 0.00 174.94 173.98 2kct s GLU 108 N -0.54 2.19 0.00 0.37 0.41 -1.00 -2.64 118.70 117.49 2kct s GLU 108 Ca 0.09 -0.93 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 2kct s GLU 108 Cb -0.12 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 2kct s GLU 108 CO 0.02 0.55 0.00 0.41 -0.49 0.00 0.00 175.26 175.75 2kct n GLY 109 N 1.37 -0.46 3.63 -1.39 0.00 -1.01 -0.37 105.19 106.96 2kct n GLY 109 Ca -0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 2kct n GLY 109 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kct s GLY 110 N 0.00 -0.04 -0.34 -0.02 0.00 -0.84 -1.33 107.32 104.75 2kct s GLY 110 Ca 0.00 2.78 -0.21 0.00 0.00 0.00 0.00 44.72 47.29 2kct s GLY 110 CO 0.00 1.71 0.69 -2.27 0.00 0.00 0.00 173.10 173.23 2kct s LEU 111 N -0.07 4.18 -0.02 0.66 2.96 -1.26 -1.74 118.68 123.39 2kct s LEU 111 Ca 0.04 0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 54.05 2kct s LEU 111 Cb -0.04 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.71 2kct s LEU 111 CO -0.07 -0.62 0.57 0.00 -1.32 0.00 0.00 176.35 174.91 2kct s ALA 112 N 2.83 3.49 -0.82 5.97 0.00 -1.26 -4.93 121.76 127.05 2kct s ALA 112 Ca 0.27 -0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.96 2kct s ALA 112 Cb -0.14 -2.71 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 2kct s ALA 112 CO 0.15 0.15 2.19 -2.14 0.00 0.00 0.00 175.76 176.11 2kct s PRO 113 N -0.10 2.07 0.00 0.00 0.02 -1.26 -1.73 135.00 134.00 2kct s PRO 113 Ca 0.30 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.51 2kct s PRO 113 Cb -0.18 -4.88 0.00 0.00 0.02 0.00 0.00 34.50 29.46 2kct s PRO 113 CO 0.16 -3.88 0.00 0.41 -0.33 0.00 0.00 177.00 173.36 2kct n GLY 114 N 6.76 2.85 3.58 0.52 0.00 -1.26 -4.82 105.19 112.82 2kct n GLY 114 Ca 0.43 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2kct n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kct s GLU 115 N 0.00 3.79 0.43 1.61 8.01 -0.71 -4.94 118.70 126.90 2kct s GLU 115 Ca 0.00 0.10 0.30 0.00 0.01 0.00 0.00 54.97 55.38 2kct s GLU 115 Cb 0.00 -3.76 1.28 0.00 -4.31 0.00 0.00 34.13 27.34 2kct s GLU 115 CO 0.00 -0.60 1.89 -0.44 0.01 0.00 0.00 175.26 176.12 2kct h ASP 116 N 8.32 0.00 -3.52 -0.19 3.32 -1.97 -3.36 116.42 119.02 2kct h ASP 116 Ca -0.27 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.26 2kct h ASP 116 Cb 1.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2kct h ASP 116 CO 0.79 0.00 0.41 0.28 -1.72 0.00 0.00 179.24 179.00 2kct s THR 117 N -3.56 4.30 -0.44 0.35 -1.32 -1.26 -4.53 115.64 109.18 2kct s THR 117 Ca 0.02 1.88 -0.29 0.00 -1.21 0.00 0.00 61.69 62.10 2kct s THR 117 Cb 0.09 -4.20 0.01 0.00 -1.51 0.00 0.00 72.50 66.89 2kct s THR 117 CO 0.46 0.28 1.40 0.12 -2.21 0.00 0.00 174.62 174.66 2kct s PHE 118 N 0.10 2.40 -0.86 9.09 2.19 0.68 -4.39 117.98 127.18 2kct s PHE 118 Ca 0.49 0.65 -0.24 0.00 0.33 0.00 0.00 56.93 58.16 2kct s PHE 118 Cb -0.25 -4.33 0.06 0.00 -1.31 0.00 0.00 43.02 37.18 2kct s PHE 118 CO 0.31 -1.94 1.28 0.15 1.83 0.00 0.00 175.22 176.85 2kct s LYS 119 N 5.01 3.39 -0.05 10.12 1.02 -0.71 -1.57 119.74 136.95 2kct s LYS 119 Ca 0.59 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 2kct s LYS 119 Cb -0.13 -4.75 -0.03 0.00 -0.52 0.00 0.00 37.83 32.40 2kct s LYS 119 CO 0.32 -2.07 1.11 0.00 -0.92 0.00 0.00 175.35 173.78 2kct s ALA 120 N 4.77 3.40 -0.01 5.17 0.00 0.07 -1.98 121.76 133.19 2kct s ALA 120 Ca 0.37 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 2kct s ALA 120 Cb -0.06 -3.46 -0.33 0.00 0.00 0.00 0.00 23.12 19.27 2kct s ALA 120 CO 0.01 -0.59 0.88 -0.09 0.00 0.00 0.00 175.76 175.97 2kct h ARG 121 N 7.16 0.45 -4.52 0.00 2.43 -0.98 -3.31 114.38 115.61 2kct h ARG 121 Ca -0.35 -0.76 -0.21 0.00 -0.81 0.00 0.00 59.98 57.84 2kct h ARG 121 Cb 1.17 0.28 -0.15 0.00 -0.42 0.00 0.00 29.97 30.86 2kct h ARG 121 CO 0.84 1.37 -0.65 0.95 -1.51 0.00 0.00 179.97 180.97 2kct s THR 122 N -2.55 0.26 -0.01 0.20 -4.23 -1.02 -4.78 115.64 103.51 2kct s THR 122 Ca -0.12 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2kct s THR 122 Cb 0.04 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2kct s THR 122 CO 0.89 -0.48 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.22 2kct s LEU 123 N -3.08 1.82 -0.10 4.79 2.96 -1.26 -2.37 118.68 121.45 2kct s LEU 123 Ca 0.24 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2kct s LEU 123 Cb 0.07 -0.34 0.04 0.00 0.50 0.00 0.00 46.19 46.46 2kct s LEU 123 CO 0.02 0.04 0.03 -0.32 -1.32 0.00 0.00 176.35 174.80 2kct s MET 124 N 0.14 0.40 0.26 1.98 -2.45 -0.79 -5.04 119.30 113.81 2kct s MET 124 Ca -0.01 0.06 -0.25 0.00 -1.25 0.00 0.00 55.69 54.23 2kct s MET 124 Cb -0.06 -1.15 -0.09 0.00 1.25 0.00 0.00 34.83 34.78 2kct s MET 124 CO -0.00 -0.40 0.87 0.95 1.05 0.00 0.00 175.02 177.49 2kct s THR 125 N 2.02 4.28 0.19 10.11 -4.23 -1.26 -1.18 115.64 125.57 2kct s THR 125 Ca 0.04 1.75 0.20 0.00 -1.18 0.00 0.00 61.69 62.50 2kct s THR 125 Cb -0.13 -4.06 0.17 0.00 1.34 0.00 0.00 72.50 69.81 2kct s THR 125 CO -0.06 0.28 1.79 0.11 -0.54 0.00 0.00 174.62 176.20 2kct h LYS 126 N 3.58 0.00 -5.82 3.99 1.79 -1.66 -3.40 116.57 115.05 2kct h LYS 126 Ca -0.47 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.41 2kct h LYS 126 Cb 1.20 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.75 2kct h LYS 126 CO 0.66 0.32 0.47 0.00 -1.08 0.00 0.00 179.45 179.81 2kct s PRO 128 N 2.96 1.91 -0.62 0.00 0.02 -1.26 -4.84 135.00 133.17 2kct s PRO 128 Ca 0.35 1.67 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 2kct s PRO 128 Cb -0.14 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.44 2kct s PRO 128 CO 0.10 -1.99 2.48 1.28 -0.33 0.00 0.00 177.00 178.54 2kct n LEU 129 N -3.10 1.76 0.00 -5.54 4.32 -1.26 -4.96 117.00 108.22 2kct n LEU 129 Ca 0.13 -0.23 0.10 0.00 -0.02 0.00 0.00 56.01 55.99 2kct n LEU 129 Cb 0.51 -1.37 0.57 0.00 -1.62 0.00 0.00 43.42 41.50 2kct n LEU 129 CO 0.48 -1.25 0.76 -0.62 -1.22 0.00 0.00 177.39 175.55